稀土金属掺杂Ti02 光催化剂及活性预测的研究进展

吴迪; 李晨; 史载锋; 张小朋; 林强; 吴兴惠

文章摘要

吴迪,李晨,史载锋,张小朋,林强,吴兴惠.稀土金属掺杂Ti02 光催化剂及活性预测的研究进展[J].海南师范大学学报自科版,2017,30(3):317-323

稀土金属掺杂Ti02 光催化剂及活性预测的研究进展

Research Progress of Rare Earth Doped Ti02 Photocatalysts and Predicting Photocatalytic Activity

投稿时间：2017-06-13

DOI：10.12051/j.issn.1674-4942.2017.03.013

中文关键词: 稀土金属二氧化钦光催化第一性原理模式识别法

英文关键词: rare earth Ti02 photocatalyst first - principle method pattern recognition

基金项目:

作者	单位
吴迪	海南省水环境污染治理与资源化重点实验室，海南师范大学化学与化工学院，海南海571158
李晨	海南省水环境污染治理与资源化重点实验室，海南师范大学化学与化工学院，海南海571158
史载锋	海南省水环境污染治理与资源化重点实验室，海南师范大学化学与化工学院，海南海571158
张小朋	海南省水环境污染治理与资源化重点实验室，海南师范大学化学与化工学院，海南海571158
林强	海南省水环境污染治理与资源化重点实验室，海南师范大学化学与化工学院，海南海571158
吴兴惠	1.海南省水环境污染治理与资源化重点实验室，海南师范大学化学与化工学院，海南海571158 2. 海南师范大学信息科学与技术学院，海南海口571158

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中文摘要:

对近年来稀土金属掺杂Ti02 光催化剂的制备和光催化机理进行了综述. 以Ti02 为例，光催化反应只发生在当高能量紫外光照射在催化剂上.稀土金属作为掺杂剂展现了极好的潜能，不仅可以使吸收红移，还能够提高Ti02的光催化活性.制备的方法包括溶胶凝胶法、水热法、模板法、阳极氧化法、静电自组装法和沉淀法等.文章重点强调了羊稀土掺杂对Ti02 的晶型、粒径、光学性质、比表面积和光催化活性的影响，比较了稀土金属共掺杂与羊掺杂的不同.分析了基于第一性原理的密度泛函理论对其光催化活性的研究，讨论了晶格参数、能带结构、电子结构、几何结构、态密度以及光学性质等理论计算.最后提出了通过模式识别预测稀土掺杂Ti02的光催化活性的可行性.

英文摘要:

In the article , researches on preparation of rare earth doped TiO2 and the photocatalytic mechanismare are reviewed. In the case of Ti02 , photocatalytic reaction can only happen if high energy UV light is incident on the catalyst. Rare earth metals have displayed superb potential as dopants not only in red - shifting the absorption but also in enhancing the photocatalytic activity of Ti02. This has included sol- gel method , hydrothermal method , template method , anodic oxidation method , electrostatic self - assembly method and precipitation method ,etc. There is an emphasis on single rare earth dopants and related influences on the phase , particle size , optical property , specific surface area and photocatalytic activity of Ti02. Then a short discussion on co - doping with rare earth metals is compared with singly doped Ti02. Furthermore , studies on its photocatalytic activity with Density Functional Theorγ based on First - principle method are analyzed. Theoretical calculation , such as lattice parameter , band structure , electronic structure , geometric structure , state densityas well as optical properties are also discussed. Lastly , feasibility of predicting photocatalytic activity of rare earth doped Ti02 with pattern recognition is suggested.

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